SCHEMBL3609800

SCHEMBL3609800

Cc1ccc(-c2c(C)nnc(Cl)c2-c2ncc(Cl)cc2Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.43
PTGS1 P23219 3/20 0.43
ABCC4 O15439 1/20 0.43
ABCB11 O95342 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPK14 Q16539 1/20 0.43
CNR2 P34972 1/20 0.38
OPRL1 P41146 1/20 0.36
KCNH2 Q12809 1/20 0.36
CRHR1 P34998 5/20 0.35
HPGDS O60760 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
TDO2 P48775 1/20 0.31
GRM5 P41594 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3604528 0.90 CNR2 (0.38) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL896318 0.88 CNR2 (0.37) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL3611247 0.85 PTGS2 (0.40) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL10000738 0.84 CNR2 (0.35) PTGS2PTGS1MAPK14CNR2CRHR1
SCHEMBL10000761 0.84 MAOB (0.40) PTGS2PTGS1CNR2CRHR1
SCHEMBL3619780 0.81 IDO1 (0.37) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL4181890 0.80 PTGS2 (0.57) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL3569381 0.78 CNR2 (0.42) PTGS2PTGS1CNR2
SCHEMBL10000192 0.77 CNR2 (0.37) PTGS2PTGS1MAPK14CNR2CRHR1
SCHEMBL15886463 0.77 GRIN1 (0.45)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029668-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-02-04 US claimed
EP-2049521-A2 NOVEL PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-04-22 EP claimed
WO-2008009405-A2 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-01-24 WO claimed
US-20100029668-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-02-04 US disclosed
EP-2049521-A2 NOVEL PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-04-22 EP disclosed
WO-2008009405-A2 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029668-A1 NOVEL PYRIDAZINE DERIVATIVES C3AR1, C5, C1S PTGS2 2167/4885PTGS1 2163/4885ABCC4 788/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.